TGG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OC1 | CO1 | doub | 1.21Å | 1.23Å | |
| CO1 | OT1 | sing | 1.34Å | 1.23Å | |
| CO1 | CA1 | sing | 1.51Å | 1.53Å | |
| OT1 | HT1 | sing | 0.97Å | 0.95Å | |
| CA1 | NN1 | sing | 1.47Å | 1.47Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| NN1 | HN11 | sing | 1.01Å | 1.00Å | |
| NN1 | HN12 | sing | 1.01Å | 1.00Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.51Å | 1.53Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CD1 | OE1 | doub | 1.21Å | 1.23Å | |
| CD1 | NN2 | sing | 1.35Å | 1.33Å | |
| NN2 | CA2 | sing | 1.46Å | 1.47Å | |
| NN2 | HN2 | sing | 0.97Å | 1.00Å | |
| CA2 | CO2 | sing | 1.51Å | 1.53Å | |
| CA2 | CB2 | sing | 1.53Å | 1.53Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CO2 | OC2 | doub | 1.21Å | 1.23Å | |
| CO2 | NN3 | sing | 1.35Å | 1.33Å | |
| NN3 | CA3 | sing | 1.47Å | 1.47Å | |
| NN3 | HN3 | sing | 0.97Å | 1.00Å | |
| CA3 | CO3 | sing | 1.51Å | 1.53Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CO3 | OC3 | doub | 1.21Å | 1.23Å | |
| CO3 | OT3 | sing | 1.34Å | 1.23Å | |
| OT3 | HT3 | sing | 0.97Å | 0.95Å | |
| CB2 | SG2 | sing | 1.81Å | 1.83Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| SG2 | CD2 | sing | 1.81Å | 1.83Å | |
| CD2 | CE2 | sing | 1.51Å | 1.53Å | |
| CD2 | CF2 | sing | 1.53Å | 1.53Å | |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CE2 | OE2 | doub | 1.21Å | 1.23Å | |
| CE2 | OF2 | sing | 1.34Å | 1.23Å | |
| OF2 | HF2 | sing | 0.97Å | 0.95Å | |
| CF2 | CH2 | sing | 1.51Å | 1.53Å | |
| CF2 | HF21 | sing | 1.09Å | 1.10Å | |
| CF2 | HF22 | sing | 1.09Å | 1.10Å | |
| CH2 | OI2 | doub | 1.21Å | 1.23Å | |
| CH2 | OJ2 | sing | 1.34Å | 1.23Å | |
| OJ2 | HJ2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OC1 | CO1 | OT1 | 119.2° | 119.9° |
| OC1 | CO1 | CA1 | 120.4° | 120.1° |
| OT1 | CO1 | CA1 | 120.4° | 120.0° |
| CO1 | OT1 | HT1 | 109.5° | 120.0° |
| CO1 | CA1 | NN1 | 109.2° | 109.4° |
| CO1 | CA1 | CB1 | 109.5° | 109.5° |
| CO1 | CA1 | HA1 | 109.6° | 109.5° |
| NN1 | CA1 | CB1 | 109.4° | 109.5° |
| NN1 | CA1 | HA1 | 109.7° | 109.4° |
| CA1 | NN1 | HN11 | 109.5° | 106.7° |
| CA1 | NN1 | HN12 | 109.5° | 106.7° |
| CB1 | CA1 | HA1 | 109.5° | 109.5° |
| CA1 | CB1 | CG1 | 111.7° | 109.5° |
| CA1 | CB1 | HB11 | 108.3° | 109.5° |
| CA1 | CB1 | HB12 | 108.8° | 109.4° |
| HN11 | NN1 | HN12 | 109.5° | 106.8° |
| CG1 | CB1 | HB11 | 108.2° | 109.5° |
| CG1 | CB1 | HB12 | 108.7° | 109.5° |
| CB1 | CG1 | CD1 | 111.2° | 109.5° |
| CB1 | CG1 | HG11 | 108.5° | 109.5° |
| CB1 | CG1 | HG12 | 108.9° | 109.5° |
| HB11 | CB1 | HB12 | 111.2° | 109.4° |
| CD1 | CG1 | HG11 | 108.5° | 109.4° |
| CD1 | CG1 | HG12 | 108.9° | 109.5° |
| CG1 | CD1 | OE1 | 120.9° | 120.0° |
| CG1 | CD1 | NN2 | 114.7° | 120.0° |
| HG11 | CG1 | HG12 | 110.8° | 109.4° |
| OE1 | CD1 | NN2 | 124.3° | 120.0° |
| CD1 | NN2 | CA2 | 123.3° | 120.0° |
| CD1 | NN2 | HN2 | 118.4° | 120.0° |
| CA2 | NN2 | HN2 | 118.4° | 119.9° |
| NN2 | CA2 | CO2 | 110.3° | 109.5° |
| NN2 | CA2 | CB2 | 108.6° | 109.5° |
| NN2 | CA2 | HA2 | 109.7° | 109.5° |
| CO2 | CA2 | CB2 | 110.0° | 109.5° |
| CO2 | CA2 | HA2 | 108.3° | 109.4° |
| CA2 | CO2 | OC2 | 120.8° | 119.9° |
| CA2 | CO2 | NN3 | 115.1° | 120.0° |
| CB2 | CA2 | HA2 | 110.0° | 109.4° |
| CA2 | CB2 | SG2 | 113.6° | 109.5° |
| CA2 | CB2 | HB21 | 107.2° | 109.5° |
| CA2 | CB2 | HB22 | 108.1° | 109.5° |
| OC2 | CO2 | NN3 | 124.1° | 120.0° |
| CO2 | NN3 | CA3 | 122.6° | 120.0° |
| CO2 | NN3 | HN3 | 118.7° | 120.0° |
| CA3 | NN3 | HN3 | 118.7° | 120.0° |
| NN3 | CA3 | CO3 | 109.9° | 109.5° |
| NN3 | CA3 | HA31 | 109.2° | 109.5° |
| NN3 | CA3 | HA32 | 109.3° | 109.4° |
| CO3 | CA3 | HA31 | 109.2° | 109.5° |
| CO3 | CA3 | HA32 | 109.3° | 109.5° |
| CA3 | CO3 | OC3 | 120.4° | 120.0° |
| CA3 | CO3 | OT3 | 120.4° | 120.0° |
| HA31 | CA3 | HA32 | 109.8° | 109.5° |
| OC3 | CO3 | OT3 | 119.2° | 120.0° |
| CO3 | OT3 | HT3 | 109.5° | 120.0° |
| SG2 | CB2 | HB21 | 107.2° | 109.5° |
| SG2 | CB2 | HB22 | 108.1° | 109.4° |
| CB2 | SG2 | CD2 | 100.6° | 100.0° |
| HB21 | CB2 | HB22 | 112.7° | 109.5° |
| SG2 | CD2 | CE2 | 108.9° | 109.5° |
| SG2 | CD2 | CF2 | 110.8° | 109.5° |
| SG2 | CD2 | HD2 | 108.9° | 109.5° |
| CE2 | CD2 | CF2 | 109.2° | 109.5° |
| CE2 | CD2 | HD2 | 110.5° | 109.4° |
| CD2 | CE2 | OE2 | 120.5° | 120.0° |
| CD2 | CE2 | OF2 | 120.3° | 120.0° |
| CF2 | CD2 | HD2 | 108.5° | 109.5° |
| CD2 | CF2 | CH2 | 112.0° | 109.5° |
| CD2 | CF2 | HF21 | 108.1° | 109.5° |
| CD2 | CF2 | HF22 | 108.6° | 109.5° |
| OE2 | CE2 | OF2 | 119.3° | 120.0° |
| CE2 | OF2 | HF2 | 109.5° | 120.0° |
| CH2 | CF2 | HF21 | 108.1° | 109.5° |
| CH2 | CF2 | HF22 | 108.6° | 109.5° |
| CF2 | CH2 | OI2 | 120.4° | 120.0° |
| CF2 | CH2 | OJ2 | 120.5° | 120.0° |
| HF21 | CF2 | HF22 | 111.5° | 109.5° |
| OI2 | CH2 | OJ2 | 119.1° | 119.9° |
| CH2 | OJ2 | HJ2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OC1 | CO1 | OT1 | CA1 | 179.8° | 180.0° |
| OC1 | CO1 | OT1 | HT1 | 0.0° | 0.1° |
| OC1 | CO1 | CA1 | NN1 | 8.4° | 20.0° |
| OC1 | CO1 | CA1 | CB1 | 111.3° | 100.0° |
| OC1 | CO1 | CA1 | HA1 | 128.6° | 140.0° |
| OT1 | CO1 | CA1 | NN1 | 171.4° | 160.0° |
| OT1 | CO1 | CA1 | CB1 | 68.9° | 80.0° |
| OT1 | CO1 | CA1 | HA1 | 51.2° | 40.1° |
| CA1 | CO1 | OT1 | HT1 | 179.8° | 180.0° |
| CO1 | CA1 | NN1 | CB1 | 119.8° | 120.0° |
| CO1 | CA1 | NN1 | HA1 | 120.1° | 120.0° |
| CO1 | CA1 | CB1 | HA1 | 120.1° | 120.1° |
| CO1 | CA1 | NN1 | HN11 | 8.4° | 53.8° |
| CO1 | CA1 | NN1 | HN12 | 128.5° | 60.1° |
| CO1 | CA1 | CB1 | CG1 | 174.4° | 175.0° |
| CO1 | CA1 | CB1 | HB11 | 55.3° | 64.9° |
| CO1 | CA1 | CB1 | HB12 | 65.6° | 55.0° |
| NN1 | CA1 | CB1 | HA1 | 120.2° | 120.0° |
| CA1 | NN1 | HN11 | HN12 | 120.0° | 113.9° |
| NN1 | CA1 | CB1 | CG1 | 66.0° | 65.0° |
| NN1 | CA1 | CB1 | HB11 | 175.0° | 55.0° |
| NN1 | CA1 | CB1 | HB12 | 54.1° | 175.0° |
| CB1 | CA1 | NN1 | HN11 | 128.3° | 173.8° |
| CB1 | CA1 | NN1 | HN12 | 111.7° | 59.9° |
| CA1 | CB1 | CG1 | HB11 | 119.1° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 120.0° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 119.4° | 119.9° |
| CA1 | CB1 | CG1 | CD1 | 179.8° | 179.9° |
| CA1 | CB1 | CG1 | HG11 | 61.0° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 59.8° | 60.0° |
| HA1 | CA1 | NN1 | HN11 | 111.7° | 66.2° |
| HA1 | CA1 | NN1 | HN12 | 8.3° | 180.0° |
| HA1 | CA1 | CB1 | CG1 | 54.3° | 54.9° |
| HA1 | CA1 | CB1 | HB11 | 64.8° | 175.0° |
| HA1 | CA1 | CB1 | HB12 | 174.3° | 65.1° |
| CG1 | CB1 | HB11 | HB12 | 119.4° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 119.3° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 120.0° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 119.5° | 120.1° |
| CB1 | CG1 | CD1 | OE1 | 136.8° | 0.0° |
| CB1 | CG1 | CD1 | NN2 | 44.1° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 60.7° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 179.9° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 59.3° | 60.0° |
| HB12 | CB1 | CG1 | CD1 | 60.2° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 59.0° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 179.8° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 119.5° | 119.9° |
| CG1 | CD1 | OE1 | NN2 | 179.0° | 179.9° |
| CG1 | CD1 | NN2 | CA2 | 179.3° | 180.0° |
| CG1 | CD1 | NN2 | HN2 | 0.7° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 17.5° | 120.1° |
| HG11 | CG1 | CD1 | NN2 | 163.4° | 60.0° |
| HG12 | CG1 | CD1 | OE1 | 103.2° | 120.0° |
| HG12 | CG1 | CD1 | NN2 | 75.9° | 59.9° |
| OE1 | CD1 | NN2 | CA2 | 1.6° | 0.0° |
| OE1 | CD1 | NN2 | HN2 | 178.4° | 180.0° |
| CD1 | NN2 | CA2 | HN2 | 180.0° | 180.0° |
| CD1 | NN2 | CA2 | CO2 | 98.6° | 85.0° |
| CD1 | NN2 | CA2 | CB2 | 140.8° | 155.0° |
| CD1 | NN2 | CA2 | HA2 | 20.6° | 35.0° |
| NN2 | CA2 | CO2 | CB2 | 119.8° | 120.1° |
| NN2 | CA2 | CO2 | HA2 | 120.0° | 120.0° |
| NN2 | CA2 | CB2 | HA2 | 120.0° | 120.0° |
| NN2 | CA2 | CO2 | OC2 | 29.8° | 0.1° |
| NN2 | CA2 | CO2 | NN3 | 149.9° | 180.0° |
| NN2 | CA2 | CB2 | SG2 | 60.0° | 60.0° |
| NN2 | CA2 | CB2 | HB21 | 58.2° | 60.0° |
| NN2 | CA2 | CB2 | HB22 | 180.0° | 179.9° |
| HN2 | NN2 | CA2 | CO2 | 81.5° | 95.0° |
| HN2 | NN2 | CA2 | CB2 | 39.2° | 25.0° |
| HN2 | NN2 | CA2 | HA2 | 159.4° | 145.0° |
| CO2 | CA2 | CB2 | HA2 | 119.2° | 119.9° |
| CA2 | CO2 | OC2 | NN3 | 179.7° | 179.9° |
| CA2 | CO2 | NN3 | CA3 | 179.8° | 180.0° |
| CA2 | CO2 | NN3 | HN3 | 0.2° | 0.1° |
| CO2 | CA2 | CB2 | SG2 | 60.8° | 179.9° |
| CO2 | CA2 | CB2 | HB21 | 179.0° | 60.1° |
| CO2 | CA2 | CB2 | HB22 | 59.2° | 60.0° |
| CB2 | CA2 | CO2 | OC2 | 90.0° | 120.0° |
| CB2 | CA2 | CO2 | NN3 | 90.3° | 59.9° |
| CA2 | CB2 | SG2 | HB21 | 118.2° | 120.0° |
| CA2 | CB2 | SG2 | HB22 | 120.0° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 118.9° | 120.1° |
| CA2 | CB2 | SG2 | CD2 | 130.8° | 180.0° |
| HA2 | CA2 | CO2 | OC2 | 149.8° | 120.1° |
| HA2 | CA2 | CO2 | NN3 | 29.9° | 60.0° |
| HA2 | CA2 | CB2 | SG2 | 180.0° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 61.8° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 60.0° | 59.9° |
| OC2 | CO2 | NN3 | CA3 | 0.5° | 0.0° |
| OC2 | CO2 | NN3 | HN3 | 179.5° | 180.0° |
| CO2 | NN3 | CA3 | HN3 | 180.0° | 180.0° |
| CO2 | NN3 | CA3 | CO3 | 90.3° | 180.0° |
| CO2 | NN3 | CA3 | HA31 | 29.5° | 60.0° |
| CO2 | NN3 | CA3 | HA32 | 149.7° | 60.0° |
| NN3 | CA3 | CO3 | HA31 | 119.8° | 120.0° |
| NN3 | CA3 | CO3 | HA32 | 120.0° | 119.9° |
| NN3 | CA3 | HA31 | HA32 | 119.9° | 119.9° |
| NN3 | CA3 | CO3 | OC3 | 69.2° | 0.0° |
| NN3 | CA3 | CO3 | OT3 | 110.8° | 180.0° |
| HN3 | NN3 | CA3 | CO3 | 89.7° | 0.0° |
| HN3 | NN3 | CA3 | HA31 | 150.5° | 120.0° |
| HN3 | NN3 | CA3 | HA32 | 30.3° | 120.0° |
| CO3 | CA3 | HA31 | HA32 | 119.9° | 120.1° |
| CA3 | CO3 | OC3 | OT3 | 180.0° | 180.0° |
| CA3 | CO3 | OT3 | HT3 | 179.9° | 180.0° |
| HA31 | CA3 | CO3 | OC3 | 171.0° | 120.0° |
| HA31 | CA3 | CO3 | OT3 | 9.0° | 60.0° |
| HA32 | CA3 | CO3 | OC3 | 50.8° | 119.9° |
| HA32 | CA3 | CO3 | OT3 | 129.2° | 60.0° |
| OC3 | CO3 | OT3 | HT3 | 0.0° | 0.0° |
| SG2 | CB2 | HB21 | HB22 | 118.8° | 119.9° |
| CB2 | SG2 | CD2 | CE2 | 78.0° | 65.0° |
| CB2 | SG2 | CD2 | CF2 | 161.8° | 175.0° |
| CB2 | SG2 | CD2 | HD2 | 42.5° | 55.0° |
| HB21 | CB2 | SG2 | CD2 | 12.6° | 60.0° |
| HB22 | CB2 | SG2 | CD2 | 109.2° | 60.0° |
| SG2 | CD2 | CE2 | CF2 | 121.1° | 120.0° |
| SG2 | CD2 | CE2 | HD2 | 119.6° | 120.0° |
| SG2 | CD2 | CF2 | HD2 | 119.5° | 120.0° |
| SG2 | CD2 | CE2 | OE2 | 48.9° | 109.9° |
| SG2 | CD2 | CE2 | OF2 | 131.5° | 70.0° |
| SG2 | CD2 | CF2 | CH2 | 172.8° | 65.0° |
| SG2 | CD2 | CF2 | HF21 | 53.8° | 175.0° |
| SG2 | CD2 | CF2 | HF22 | 67.2° | 55.0° |
| CE2 | CD2 | CF2 | HD2 | 120.5° | 120.0° |
| CD2 | CE2 | OE2 | OF2 | 179.6° | 179.9° |
| CD2 | CE2 | OF2 | HF2 | 179.6° | 180.0° |
| CE2 | CD2 | CF2 | CH2 | 67.3° | 175.0° |
| CE2 | CD2 | CF2 | HF21 | 173.7° | 55.0° |
| CE2 | CD2 | CF2 | HF22 | 52.7° | 65.0° |
| CF2 | CD2 | CE2 | OE2 | 72.2° | 130.1° |
| CF2 | CD2 | CE2 | OF2 | 107.4° | 50.0° |
| CD2 | CF2 | CH2 | HF21 | 118.9° | 120.0° |
| CD2 | CF2 | CH2 | HF22 | 120.0° | 120.0° |
| CD2 | CF2 | HF21 | HF22 | 119.3° | 120.0° |
| CD2 | CF2 | CH2 | OI2 | 27.7° | 0.0° |
| CD2 | CF2 | CH2 | OJ2 | 152.5° | 180.0° |
| HD2 | CD2 | CE2 | OE2 | 168.5° | 10.1° |
| HD2 | CD2 | CE2 | OF2 | 11.9° | 170.0° |
| HD2 | CD2 | CF2 | CH2 | 53.2° | 55.0° |
| HD2 | CD2 | CF2 | HF21 | 65.7° | 65.0° |
| HD2 | CD2 | CF2 | HF22 | 173.2° | 175.0° |
| OE2 | CE2 | OF2 | HF2 | 0.0° | 0.0° |
| CH2 | CF2 | HF21 | HF22 | 119.3° | 120.0° |
| CF2 | CH2 | OI2 | OJ2 | 179.8° | 180.0° |
| CF2 | CH2 | OJ2 | HJ2 | 179.8° | 180.0° |
| HF21 | CF2 | CH2 | OI2 | 91.2° | 120.0° |
| HF21 | CF2 | CH2 | OJ2 | 88.6° | 60.0° |
| HF22 | CF2 | CH2 | OI2 | 147.7° | 120.0° |
| HF22 | CF2 | CH2 | OJ2 | 32.5° | 60.0° |
| OI2 | CH2 | OJ2 | HJ2 | 0.0° | 0.0° |
